100%, Zurich, fixed-term
The Digital Chemistry Laboratory, led by Prof. Dr. Kjell Jorner at the Institute of Chemical and Bioengineering, within the Department of Chemistry and Applied Biosciences at ETH Zurich, is associated with the ETH AI Center. We are an interdisciplinary group at the intersection of chemistry and computer science, on a mission to accelerate chemical discovery using digital tools. Our focus lies in predicting chemical reactivity and molecular properties through machine learning, artificial intelligence, computational chemistry, and cheminformatics. Our ultimate goal is the computer-aided design of molecules and catalysts.
Cycloaddition reactions are invaluable synthetic tools for building molecular complexity. They can form ring systems with high atom economy, driving innovations in areas such as materials science and pharmaceuticals. Recently, energy transfer photocatalysis (EnT) has emerged as a groundbreaking method for facilitating cycloadditions. However, predicting the reactivity and selectivity of substrates in EnT-catalyzed reactions poses significant challenges due to limited mechanistic understanding and scarce experimental data.
This project aims to address these challenges by developing chemistry-informed machine learning models for predicting selectivity and reactivity. These models will also yield valuable mechanistic insights that enable generalization of selectivity trends across diverse reaction conditions and substrates. Ultimately, we will transform these models into user-friendly tools, empowering synthetic chemists with a robust predictive framework for precise reaction outcome predictions.
The project is part of an international collaboration with the German Priority Program on the Utilization and Development of Machine Learning for Molecular Applications (SPP 2363). It includes close cooperation with Prof. Dr. Frank Glorius's group at the University of Münster, which comprises world-leading experts in photocatalysis and molecular machine learning. This partnership will involve the application of the models in synthetic method development conducted by the Glorius group, including the selection of subsequent reactions and the application of findings to medicinally relevant targets.
As a PhD student in our dynamic team, you will develop machine learning methods for predicting the reactivity and selectivity of energy-transfer-catalyzed photocycloaddition reactions. Additionally, you will identify descriptors for photochemical reactions that can enhance our models' ability to generalize to new substrates and reaction types. Collaboration with our experimental partners in Prof. Dr. Glorius's group will be essential. You will also contribute to our department's teaching activities.
We seek a committed and motivated candidate excited to push the boundaries of research in digital chemistry.
Essential experience, skills, and characteristics:
At least one of the following:
Desirable but not mandatory criteria:
You will be part of a vibrant and growing research group in the exciting field of Digital Chemistry, thriving in the motivating environment of ETH Zurich. We promote a modern and supportive group culture, valuing diversity, independence, and initiative. The position is set within an interdisciplinary research environment, with strong links to the ETH AI Center and the National Centre of Competence in Research (NCCR) Catalysis, bridging the fields of chemical sciences, digitalization, and sustainability.
A competitive salary is provided, aligned with Rate 2 of the doctoral student salary ladder.
In alignment with our values, ETH Zurich is committed to fostering an inclusive culture. We promote equality of opportunity, value diversity, and nurture a working and learning environment that respects the rights and dignity of all our staff and students.
To apply, please complete the online application using the form below. Only applications matching the job profile will be considered.
The application should consist of:
For further information about our group, please visit our website. For questions regarding the position, please reach out to Prof. Dr. Kjell Jorner at kjell.jorner@chem.ethz.ch.
ETH Zurich is one of the world's leading universities specializing in science and technology, recognized for its excellent education, groundbreaking research, and direct transfer of knowledge into society. With over 30,000 individuals from more than 120 countries, our university promotes independent thinking and provides an inspiring environment for excellence. Located in the heart of Europe, we forge connections globally, working collaboratively to tackle the pressing challenges of today and tomorrow.
Location : Münster
Country : Switzerland